SCHEMBL4782872

SCHEMBL4782872

O=C(O)COc1cc2c(cc1Br)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
SFRP1 Q8N474 14/20 0.43
WNT3 P56703 4/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4781542 0.90 PTGDR2 (0.44) NR1H2SFRP1WNT3PTGDR2ALDH1A1
SCHEMBL4783485 0.85 NR1H2 (0.54) NR1H2SFRP1WNT3MEN1ALDH1A1
SCHEMBL4784216 0.80 NR1H2 (0.49) NR1H2SFRP1WNT3MEN1ALDH1A1
SCHEMBL4784211 0.79 NR1H2 (0.48) NR1H2SFRP1WNT3MEN1KMT2A
SCHEMBL4783187 0.77 NR1H2 (0.44) NR1H2SFRP1PTGDR2
SCHEMBL4907973 0.76 NR1H2 (0.46) NR1H2HTR1AHTR7
SCHEMBL4782504 0.76 NR1H2 (0.55) NR1H2SFRP1WNT3
SCHEMBL4781127 0.75 NR1H2 (0.51) NR1H2SFRP1WNT3
SCHEMBL4733742 0.75 NR1H2 (0.55) NR1H2SFRP1WNT3MEN1ALDH1A1
SCHEMBL4784882 0.75 NR1H2 (0.53) NR1H2SFRP1WNT3MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed